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Hydrochloric Acid → 2-(3-Imidazol-1-yl-propylamino)-8-indan-5-yl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid methoxy-amide

HRID 188076
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HRID 188076 반응식
[CH2:12]([O:14][C:15](=[O:13])[c:17]1[c:18](=[O:45])[c:19]2[c:20]([n:21][c:22]([NH:25][CH2:26][CH2:27][CH2:28][n:29]3[cH:30][n:31][cH:32][cH:33]3)[n:23][cH:24]2)[n:34](-[c:36]2[cH:37][c:38]3[c:42]([cH:43][cH:44]2)[CH2:41][CH2:40][CH2:39]3)[cH:35]1)[CH3:16].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:46][OH:47].[CH3:9][O:10][NH2:11].[ClH:8].[OH2:48]>>[CH3:9][O:10][NH:11][C:15](=[O:14])[c:17]1[c:18](=[O:45])[c:19]2[c:20]([n:21][c:22]([NH:25][CH2:26][CH2:27][CH2:28][n:29]3[cH:30][n:31][cH:32][cH:33]3)[n:23][cH:24]2)[n:34](-[c:36]2[cH:37][c:38]3[c:42]([cH:43][cH:44]2)[CH2:41][CH2:40][CH2:39]3)[cH:35]1
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반응물 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 962WaterHCID 4113O-MethylhydroxylamineHCID 8471TriethylamineHCID 685831992-(3-Imidazol-1-yl-propylamino)-8-indan-5-yl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester

생성물 1

HCID 16049444
2-(3-Imidazol-1-yl-propylamino)-8-indan-5-yl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid methoxy-amide

출처 및 근거

ORD 기록
ord-b89b567604b14b86a20bc15dc8243005
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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